SCHEMBL2961545

SCHEMBL2961545

CC[CH]C1C=Cc2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.39
HTR2A P28223 2/20 0.38
HTR6 P50406 1/20 0.38
KDM4E B2RXH2 2/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
CHRM2 P08172 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CHRM1 P11229 1/20 0.35
DRD2 P14416 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
NFKB1 P19838 1/20 0.35
CHRM3 P20309 1/20 0.35
SLC6A2 P23975 1/20 0.35
HTR2C P28335 1/20 0.35
ADRA1A P35348 1/20 0.35
HRH1 P35367 1/20 0.35
DRD3 P35462 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3699331 0.82 HTR2A (0.35) SIGMAR1HTR2AHTR6KDM4ELMNA
SCHEMBL11414403 0.81 SIGMAR1 (0.38) SIGMAR1HTR2AHTR6KDM4ELMNA
SCHEMBL7627841 0.78 HTR6 (0.46) SIGMAR1HTR2AHTR6KDM4ELMNA
SCHEMBL2951329 0.78 HTR2A (0.38) SIGMAR1HTR2AHTR6KDM4ELMNA
SCHEMBL14672781 0.74 HTR2A (0.35) SIGMAR1HTR2AHTR6KDM4ELMNA
SCHEMBL14672782 0.74 HTR2A (0.35) SIGMAR1HTR2AHTR6KDM4ELMNA
SCHEMBL2364504 0.74 HTR2A (0.38) SIGMAR1HTR2AHTR6KDM4ELMNA
SCHEMBL9370624 0.74 HTR2A (0.38) SIGMAR1HTR2AHTR6KDM4ELMNA
SCHEMBL29393845 0.74 HTR2A (0.38) SIGMAR1HTR2AHTR6KDM4ELMNA
SCHEMBL194747 0.74 HTR2A (0.38) SIGMAR1HTR2AHTR6KDM4ELMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130345208-A1 ION CHANNEL MODULATORS AND METHODS OF USE VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-12-26 US claimed
US-20100184753-A1 Ion Channel Modulators and Methods of Uses VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-07-22 US claimed
EP-1809290-A2 PYRIMIDINE DERIVATIVES AS ION CHANNEL MODULATORS AND METHODS OF USE Vertex Pharmaceuticals Incorporated (US) 2007-07-25 EP claimed
US-20060160817-A1 Ion channel modulators and methods of use VERTEX PHARMACEUTICALS INCORPORATED 2006-07-20 US claimed
WO-2006050476-A2 PYRIMIDINE DERIVATIVES AS ION CHANNEL MODULATORS AND METHODS OF USE VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-05-11 WO claimed
EP-0338946-B1 Sweetening agents which derive from the acides l-aspartic and l-glutamotic-n-hydrocarbonés NOFRE, Claude (FR) 1992-07-01 EP claimed
US-4935517-A STABILITY, INTENSITY UNIVERSITE CLAUDE BERNARD (FR) 1990-06-19 US claimed
EP-0338946-A1 Sweetening agents which derive from the acides l-aspartic and l-glutamotic-n-hydrocarbonés NOFRE, Claude (FR) 1989-10-25 EP claimed
US-20130345208-A1 ION CHANNEL MODULATORS AND METHODS OF USE VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-12-26 US disclosed
US-8546414-B2 Ion channel modulators and methods of use VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-10-01 US disclosed
EP-2143714-B1 TETRAHYDROISOQUINOLINE COMPOUND KOWA CO (JP) 2013-06-05 EP disclosed
US-20120270318-A1 ION CHANNEL MODULATORS AND METHODS OF USE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-10-25 US disclosed
US-8273766-B2 Tetrahydroisoquinoline compound KOWA COMPANY, LTD. (JP) 2012-09-25 US disclosed
US-8236815-B2 Ion channel modulators and methods of uses VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-07 US disclosed
US-6410587-B1 FIBROSIS; ALZHEIMER'S DISEASE; ANTIARTHRITIC AGENTS NEORX CORPORATION 2002-06-25 US disclosed
US-6117911-A ADMINISTRATION OF AT LEAST ONE THERAPEUTIC AGENT THAT ELEVATES THE LEVEL OF TGF-BETA IN SAID MAMMAL. NEORX CORPORATION (US) 2000-09-12 US disclosed
WO-1998046588-A2 COMPOUNDS AND THERAPIES FOR THE PREVENTION OF VASCULAR AND NON-VASCULAR PATHOLOGIES NEORX CORPORATION (US) 1998-10-22 WO disclosed
EP-0338946-B1 Sweetening agents which derive from the acides l-aspartic and l-glutamotic-n-hydrocarbonés NOFRE, Claude (FR) 1992-07-01 EP disclosed
US-4935517-A STABILITY, INTENSITY UNIVERSITE CLAUDE BERNARD (FR) 1990-06-19 US disclosed
EP-0338946-A1 Sweetening agents which derive from the acides l-aspartic and l-glutamotic-n-hydrocarbonés NOFRE, Claude (FR) 1989-10-25 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060160817-A1 Ion channel modulators and methods of use CACNA1G, CACNA1C, CACNA1B SIGMAR1 2191/4885HTR2A 775/4885HTR6 798/4885
US-20100184753-A1 Ion Channel Modulators and Methods of Uses CACNA1G, CACNA1C, CACNA1B SIGMAR1 2293/4885HTR2A 911/4885HTR6 903/4885
US-20130345208-A1 ION CHANNEL MODULATORS AND METHODS OF USE CACNA1B, TRPV1, CACNA1C SIGMAR1 940/4885HTR2A 560/4885HTR6 427/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.